SCHEMBL6166173

SCHEMBL6166173

CN(Cc1cccnc1)Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
ACHE P22303 2/20 0.44
MAOB P27338 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
TSPO P30536 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6168010 0.82 PPARD (0.40) HIF1AEPAS1ACHEMAOBCYP3A4
SCHEMBL5862035 0.81 PRMT1 (0.40) CYP3A4CYP2C19SIGMAR1ALDH1A1KDM4E
SCHEMBL6168005 0.80 PPARD (0.39) HIF1AEPAS1ACHEMAOBCYP3A4
SCHEMBL5860726 0.80 TACR1 (0.38) ACHEMAOBSMN1; SMN2NPC1BCHE
Hydrochloric Acid SCHEMBL5861139 0.77 PPARD (0.55)
SCHEMBL27602785 0.76 HIF1A (0.65) HIF1AEPAS1CYP3A4MAPK1CHRNB2
SCHEMBL6162606 0.76 CYP3A4 (0.41) HIF1AEPAS1CYP3A4CYP2C19NR1H2
SCHEMBL5860888 0.75 PPARD (0.43)
SCHEMBL5861037 0.75 PRMT1 (0.37) CYP3A4CYP2C19
SCHEMBL5860604 0.75 S1PR1 (0.42) MAOBCYP3A4CYP2C19SMN1; SMN2SORT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed